![(E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid structure](/static/products/5314/5314-34-1.webp)
(E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid
TL;DR: (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid (CAS 5314-34-1) is a chemical compound with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-[2-(phenylcarbamoyl)anilino]but-2-enoic acid
Also Known As: 4-oxo-4-[2-(phenylcarbamoyl)anilino]but-2-enoic acid, (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid, (E)-3-[[2-(phenylcarbamoyl)phenyl]carbamoyl]prop-2-enoic acid, 4-{[2-(anilinocarbonyl)phenyl]amino}-4-oxo-2-butenoic acid, (E)-4-oxo-4-((2-(phenylcarbamoyl)phenyl)amino)but-2-enoic acid
| Molecular Formula | C17H14N2O4 |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.09537 |
| Heavy Atoms | 23 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 5314-34-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C=CC(=O)O |
| InChIKey | COCPWSROQBFTBZ-UHFFFAOYSA-N |
Product Overview
(E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid (CAS 5314-34-1), with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol. IUPAC: 4-oxo-4-[2-(phenylcarbamoyl)anilino]but-2-enoic acid.
Chemical Property Profile of (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid
Property Insights of (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid?
The CAS number of (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid is 5314-34-1.
What is the molecular formula of (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid?
The molecular formula of (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid is C17H14N2O4.
What is the molecular weight of (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid?
The molecular weight of (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid is 310.10 g/mol.
Where can I buy (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid?
You can request a quote for (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-[2-(Anilinocarbonyl)anilino]-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.